N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide

C20H18N2O5 — CID 51121667

IUPACN-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide
SMILESCNC(=O)COc1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C20H18N2O5/c1-21-18(23)12-26-15-8-6-13(7-9-15)11-22-19(24)16-10-14-4-2-3-5-17(14)27-20(16)25/h2-10H,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyNPNOKORAHKTURP-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.85
Rot. Bonds6

About N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide

N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide (PubChem CID 51121667) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide
PubChem CID51121667
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide
SMILESCNC(=O)COc1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C20H18N2O5/c1-21-18(23)12-26-15-8-6-13(7-9-15)11-22-19(24)16-10-14-4-2-3-5-17(14)27-20(16)25/h2-10H,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyNPNOKORAHKTURP-UHFFFAOYSA-N
XLogP1.85
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766
methyl N-[4-[[(2-oxochromene-3-carbonyl)amino]methyl]phenyl]carbamate
CID 47058004
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(4-ethoxyphenoxy)acetate
CID 19185577
[2-(methylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3683974
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674
N-[[4-(butylcarbamoyl)phenyl]methyl]-2-oxochromene-3-carboxamide
CID 86986297
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56798194
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 47064047
N-[(4-methoxyphenyl)methyl]-2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 38113686
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-oxochromene-3-carboxamide
CID 122262283
N-(1,3-benzodioxol-5-ylmethyl)-2-oxochromene-3-carboxamide
CID 775794

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide (CID 51121667) is N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide is CNC(=O)COc1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide?
The InChIKey is NPNOKORAHKTURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-21-18(23)12-26-15-8-6-13(7-9-15)11-22-19(24)16-10-14-4-2-3-5-17(14)27-20(16)25/h2-10H,11-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide?
N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 51121667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).